Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53388
Common Name:	Prontosil
Systematic Name:	4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide
RefMet Name:	Prontosil
Synonyms:	Prontosil; Prontosil rubrum; Rubiazol; Sulfamidochrysoidine; p-((2,4-Diaminophenyl)azo)benzenesulphonamide [PubChem Synonyms]
Exact Mass:	291.0790 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H13N5O2S
InChIKey:	ABBQGOCHXSPKHJ-WUKNDPDISA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azobenzenes [C0003370]
ClassyFire subclass:	Azobenzenes [C0003370]
ClassyFire direct parent:	Aromatic homomonocyclic compounds
SMILES:	c1cc(c(cc1N)N)/N=N/c1ccc(cc1)S(=O)(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	66895
CHEBI ID:	8464
HMDB ID:	HMDB0256807
KEGG ID:	C07573
Plant Metabolite Hub(Pmhub):	MS000021274

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y